ethane;4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene

C18H27N — CID 142156500

IUPACethane;4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene
SMILESCC.CC1(C)C=C2C=C=CC(C)(C)/N=C\C2=CCC1
InChIInChI=1S/C16H21N.C2H6/c1-15(2)9-5-8-14-12-17-16(3,4)10-6-7-13(14)11-15;1-2/h7-8,10-12H,5,9H2,1-4H3;1-2H3/b17-12-;
InChIKeyCWBIPQCIJJKZCB-HBPAQXCTSA-N
MW257.42 g/mol
LogP5.26
Rot. Bonds

About ethane;4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene

ethane;4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene (PubChem CID 142156500) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is ethane;4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene.

Molecular Properties

Compound Nameethane;4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene
PubChem CID142156500
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Nameethane;4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene
SMILESCC.CC1(C)C=C2C=C=CC(C)(C)/N=C\C2=CCC1
InChIInChI=1S/C16H21N.C2H6/c1-15(2)9-5-8-14-12-17-16(3,4)10-6-7-13(14)11-15;1-2/h7-8,10-12H,5,9H2,1-4H3;1-2H3/b17-12-;
InChIKeyCWBIPQCIJJKZCB-HBPAQXCTSA-N
XLogP5.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.42
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene with MolForge

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Related Compounds

4,4-Dimethyl-10-propan-2-yl-3-azabicyclo[5.5.0]dodeca-1(12),2,5,7,9-pentaene
CID 90685841
2-Ethyl-2,4,7,7-tetramethylazocine
CID 90979377
2,2-Dimethyl-5-(2,4,4-trimethylpentan-2-yl)azepine
CID 129067643
(Z)-N,4,6,6-tetramethyl-2-(3-methylbut-2-en-2-yl)hept-2-en-1-imine
CID 132155974
1,6-Dimethyl-7-azabicyclo[4.2.1]nona-2,4,7-triene
CID 141847709
2,2-Dimethyl-6-(2-methylbutan-2-yl)-5-propan-2-ylazepine
CID 142268702
4-methyl-6-[(3E,5Z,7Z)-7-methylnona-3,5,7-trien-4-yl]-4-propylazepine
CID 142304888
8,8-dimethyl-4-propan-2-yl-1H-cyclohepta[c]pyrrole;ethane
CID 142420181
ethane;(3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine
CID 143746100
6-(2-methylbutan-2-yl)-2H-azepine
CID 143873827
6-(4,4-Dimethylcyclohepta-1,6-dien-1-yl)-2,2-dimethylazepine;ethane
CID 144703417
(2Z,4Z,6Z)-11-methyl-11-propan-2-yl-10-azabicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene
CID 145149108

Frequently Asked Questions

What is the IUPAC name of ethane;4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene?
The IUPAC name of ethane;4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene (CID 142156500) is ethane;4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene.
What is the SMILES notation for ethane;4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene?
The canonical SMILES for ethane;4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene is CC.CC1(C)C=C2C=C=CC(C)(C)/N=C\C2=CCC1.
What is the InChIKey of ethane;4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene?
The InChIKey is CWBIPQCIJJKZCB-HBPAQXCTSA-N. The full InChI is InChI=1S/C16H21N.C2H6/c1-15(2)9-5-8-14-12-17-16(3,4)10-6-7-13(14)11-15;1-2/h7-8,10-12H,5,9H2,1-4H3;1-2H3/b17-12-;.
What are the key properties of ethane;4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene?
ethane;4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene has a molecular weight of 257.42 g/mol, XLogP of 5.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene is sourced from PubChem (CID 142156500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).